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· · COA & SDS Disponible para cada producto · Same-day shipping on in-stock items (E)-4'-cloro-4-metoxicalcona - ≥98% , CAS No.85502-87-0
Synonyms
KGKFNDADSPFRCJ-NYYWCZLTSA-N | 1-(4-chlorophenyl)-3-(4-methoxyphenyl)prop-2-en-1-one | N10381 | BIM-0006565.P001 | AKOS000432347 | trans-4'-Chloro-4-methoxychalcone | CERIUM(III)CARBONATEHYDRATE/99.9% | 1-(4-Chlorophenyl)-3-(4-methoxyphenyl)-2-propen-1-one
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Why this grade ≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Room temperature Ships Check lot-specific COA for exact specifications.
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Quality documents SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
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Literature proof Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Descripción general Longitud de onda de absorción máxima:349(EtOH)nm
Specifications Sinónimos
KGKFNDADSPFRCJ-NYYWCZLTSA-N | 1-(4-chlorophenyl)-3-(4-methoxyphenyl)prop-2-en-1-one | N10381 | BIM-0006565.P001 | AKOS000432347 | trans-4'-Chloro-4-methoxychalcone | CERIUM(III)CARBONATEHYDRATE/99.9% | 1-(4-Chlorophenyl)-3-(4-methoxyphenyl)-2-propen-1-one
Especificaciones y pureza
≥98%
Condiciones de almacenamiento de almacenamiento
Room temperature
Nombres e identificadores Pubchem Sid 488195374 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/488195374 Sonrisas canónicas COC1=CC=C(C=C1)C=CC(=O)C2=CC=C(C=C2)Cl IUPAC Name (E)-1-(4-chlorophenyl)-3-(4-methoxyphenyl)prop-2-en-1-one InChIKey KGKFNDADSPFRCJ-NYYWCZLTSA-N INCHI 1S/C16H13ClO2/c1-19-15-9-2-12(3-10-15)4-11-16(18)13-5-7-14(17)8-6-13/h2-11H,1H3/b11-4+ Isómeros SMILES COC1=CC=C(C=C1)/C=C/C(=O)C2=CC=C(C=C2)Cl Peso molecular 272.73 Reaxy-Rn 2052996 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2052996&ln=
Documentation 📋 Safety Data Sheet (SDS) Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS → ✅ Certificate of Analysis (COA) Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA → 📊 Datasheet Quick-reference summary of product specifications and applications.
View datasheet → 🔬 Specification Sheet Full quality attributes and acceptance criteria for this grade.
View spec sheet →
Advanced Data Taxonomic Classification Kingdom Organic compounds Superclass Phenylpropanoids and polyketides Clase Linear 1,3-diarylpropanoids Subclass Chalcones and dihydrochalcones Intermediate Tree Nodes Not available Direct Parent Retrochalcones Alternative Parents Styrenes Phenoxy compounds Methoxybenzenes Benzoyl derivatives Aryl ketones Anisoles Chlorobenzenes Alkyl aryl ethers Aryl chlorides Enones Acryloyl compounds Organochlorides Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic homomonocyclic compounds Substituents Retrochalcone - Phenoxy compound - Anisole - Benzoyl - Methoxybenzene - Aryl ketone - Styrene - Phenol ether - Alkyl aryl ether - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Enone - Alpha,beta-unsaturated ketone - Acryloyl-group - Ketone - Ether - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organohalogen compound - Organochloride - Organooxygen compound - Aromatic homomonocyclic compound Descripción This compound belongs to the class of organic compounds known as retrochalcones. These are a form of normal chalcones that are structurally distinguished by the lack of oxygen functionalities at the C2'- and C6'-positions. External Descriptors Not available Data sources 1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Estructura 3D Objetivos asociados (humanos) Objetivos asociados (no humanos) Mecanismos de acción Certificados (CoA, COO, BSE/TSE y tabla de análisis) Propiedades químicas y físicas Solubilidad Soluble in Toluene Punto de fusión (°C) 123 °C Peso molecular 272.720 g/mol XLogP3 3.700 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 2 Rotatable Bond Count 4 Exact Mass 272.06 Da Monoisotopic Mass 272.06 Da Topological Polar Surface Area 26.300 Ų Heavy Atom Count 19 Formal Charge 0 Complexity 311.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 0 Undefined Atom Stereocenter Count 0 Defined Bond Stereocenter Count 1 Undefined Bond Stereocenter Count 0 The total count of all stereochemical bonds 1 Covalently-Bonded Unit Count 1
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